CAS: 624-75-9
이름: 2-iodoacetonitrile
SMILES:
C(C#N)IMolecular Processing
Molecular formula
C2H2IN
Molecular weight
166.95
Exact mass
166.9232
XLogP
0.94
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
4
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
24.5
Supplementary Information
InChIKey: VODKOOOHHCAWFR-UHFFFAOYSA-N
동의어
Iodoacetonitrile624-75-9Acetonitrile, iodo-EINECS 210-860-0DTXSID8073215NSC 81208Acetonitrile, iodoRefChem:148504DTXCID0043341210-860-0InChI=1/C2H2IN/c3-1-2-4/h1HVODKOOOHHCAWFR-UHFFFAOYSA-N2-iodoacetonitrileC2H2INMFCD00001886EXK5ZB5CF6NSC-81208Cyanoiodomethanecyanomethyl iodide2-iodoethanenitrile2-iodo acetonitrile2-iodoaceto-nitrileIodoacetonitrile, 98%UNII-EXK5ZB5CF6SCHEMBL48597SCHEMBL1568136NSC81208CCG-40420AKOS000280495CS-W016050
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